HRID154726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID101294

Bromomethyl 3-methoxyphenyl ketone

C9H9BrO2

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

HCID23537543

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C(=O)CN(C)S(=O)(=O)c2ccc(-c3ncnc4ccc(-c5cn(C(c6ccccc6)(c6ccccc6)c6ccccc6)nc5-c5ccc(F)cc5)cc34)s2)c1

HCID23537541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b41f0f2f18e42e8a0d0da353ca492e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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.[CH3:52][O:53][c:54]1[cH:55][c:56]([C:57]([CH2:58][Br:59])=[O:60])[cH:61][cH:62][cH:63]1.[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH2:64]>>[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)[CH2:58][C:57]([c:56]1[cH:55][c:54]([O:53][CH3:52])[cH:63][cH:62][cH:61]1)=[O:60]