HRID1152400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID4965

Bromomethyl 4-methoxyphenyl ketone

C9H9BrO2

HCID6228

Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

反应SMILES：CNS(=O)(=O)c1ccc(-c2ncnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cc23)s1

HCID23537543

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C(=O)CN(C)S(=O)(=O)c2ccc(-c3ncnc4ccc(-c5cn(C(c6ccccc6)(c6ccccc6)c6ccccc6)nc5-c5ccc(F)cc5)cc34)s2)cc1

HCID23537542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0383dad127ba47f88f9db0636859fba8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:1][NH:2][S:3](=[O:4])(=[O:5])[c:6]1[s:7][c:8](-[c:11]2[n:12][cH:13][n:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22](-[c:45]5[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]5)[n:23][n:24]([C:26]([c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)([c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[cH:25]4)[cH:19][c:20]23)[cH:9][cH:10]1.[CH3:54][O:55][c:56]1[cH:57][cH:58][c:59]([C:60]([CH2:61][Br:62])=[O:63])[cH:64][cH:65]1.[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[H-:52].[Na+:53].[OH2:66]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[s:7][c:8](-[c:11]2[n:12][cH:13][n:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22](-[c:45]5[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]5)[n:23][n:24]([C:26]([c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)([c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[cH:25]4)[cH:19][c:20]23)[cH:9][cH:10]1)[CH2:61][C:60]([c:59]1[cH:58][cH:57][c:56]([O:55][CH3:54])[cH:65][cH:64]1)=[O:63]