HRID1140245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID52911274

3-(Methanesulfonyl)azetidine

C4H9NO2S

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)OS(C)(=O)=O)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID86647071

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)N4CC(S(C)(=O)=O)C4)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID66600253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47f8c179749c457eae6b2b5f6dee0179
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

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