HRID299618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID14568

Sulfamido-3-chlorobenzoic acid

C7H6ClNO4S

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CCOc1cccc(C2(CCN3C4CCC3CC(n3c(C)nc5ccccc53)C4)CCNCC2)c1

HCID68676166

未命名化合物

PRODUCTS

生成物

结构：CCOc1cccc(C2(CCN3C4CCC3CC(n3c(C)nc5ccccc53)C4)CCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)c1

HCID54583057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-733c0a4202d84ab5b1eb2bf6730d1b02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:3]([CH3:4])[O:5][c:6]1[cH:7][c:8]([C:12]2([CH2:18][CH2:19][N:20]3[CH:21]4[CH2:22][CH:23]([n:28]5[c:29]([CH3:37])[n:30][c:31]6[c:32]5[cH:33][cH:34][cH:35][cH:36]6)[CH2:24][CH:25]3[CH2:26][CH2:27]4)[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:83][N:84]([CH3:85])[CH:86]=[O:87].[Cl:45][c:46]1[c:47]([S:55]([NH2:56])(=[O:57])=[O:58])[cH:48][c:49]([C:50](=[O:51])[OH:52])[cH:53][cH:54]1.[ClH:1].[ClH:2].[OH2:88].[P-:59]([F:60])([F:61])([F:62])([F:63])([F:64])[F:65].[n:66]1([O:67][C:68]([N:69]([CH3:70])[CH3:71])=[N+:72]([CH3:73])[CH3:74])[c:75]2[n:76][cH:77][cH:78][cH:79][c:80]2[n:81][n:82]1>>[CH2:3]([CH3:4])[O:5][c:6]1[cH:7][c:8]([C:12]2([CH2:18][CH2:19][N:20]3[CH:21]4[CH2:22][CH:23]([n:28]5[c:29]([CH3:37])[n:30][c:31]6[c:32]5[cH:33][cH:34][cH:35][cH:36]6)[CH2:24][CH:25]3[CH2:26][CH2:27]4)[CH2:13][CH2:14][N:15]([C:50]([c:49]3[cH:48][c:47]([S:55]([NH2:56])(=[O:57])=[O:58])[c:46]([Cl:45])[cH:54][cH:53]3)=[O:51])[CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1