HRID1536931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID45787551

4-(5-Bromo-1,3-thiazol-2-yl)morpholine

C7H9BrN2OS

结构：CC1(C)OB(c2cnc(N)c(-c3nc4ccccc4s3)c2)OC1(C)C

HCID57416513

3-(1,3-Benzothiazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C18H20BN3O2S

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：Nc1ncc(-c2cnc(N3CCOCC3)s2)cc1-c1nc2ccccc2s1

HCID67520836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a708a34581fa44e78b5affa435dbe191
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]([N:7]2[CH2:8][CH2:9][O:10][CH2:11][CH2:12]2)[s:6]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:121][O:122][CH2:123][CH2:124][O:125][CH3:126].[K+:42].[K+:43].[OH2:127].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1.[s:13]1[c:14](-[c:22]2[c:23]([NH2:37])[n:24][cH:25][c:26]([B:28]3[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]3)[cH:27]2)[n:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2>>[c:2]1(-[c:26]2[cH:25][n:24][c:23]([NH2:37])[c:22](-[c:14]3[s:13][c:17]4[c:16]([n:15]3)[cH:21][cH:20][cH:19][cH:18]4)[cH:27]2)[cH:3][n:4][c:5]([N:7]2[CH2:8][CH2:9][O:10][CH2:11][CH2:12]2)[s:6]1