HRID677413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID9256

Thiazole

C3H3NS

HCID22015505

未命名化合物

HCID178418339

Butyllithium

C4H9Li

HCID178420554

未命名化合物

PRODUCTS

产物

HCID22015509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-25c24edb99c849e2aeddb1766d16f1a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:6][CH2:7][CH2:8][CH2:9][Li:10].[Cl-:35].[Cl:11][c:12]1[c:13]2[c:14]([n:15][c:16]([NH2:18])[n:17]1)[n:19]([CH2:22][c:23]1[c:24]([F:29])[cH:25][cH:26][cH:27][cH:28]1)[n:20][cH:21]2.[NH4+:36].[cH:1]1[cH:2][s:3][cH:4][n:5]1.[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113]1>>[cH:1]1[cH:2][s:3][c:4](-[c:12]2[c:13]3[c:14]([n:15][c:16]([NH2:18])[n:17]2)[n:19]([CH2:22][c:23]2[c:24]([F:29])[cH:25][cH:26][cH:27][cH:28]2)[n:20][cH:21]3)[n:5]1