HRID91282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10040

Thiophosgene

CCl2S

结构：COc1ccc(CSC(C)(C)C(=O)NCCN(CCNC(=O)C(C)(C)SCc2ccc(OC)cc2)Cc2ccc(N)cc2)cc1

HCID69828238

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CSC(C)(C)C(=O)NCCN(CCNC(=O)C(C)(C)SCc2ccc(OC)cc2)Cc2ccc(N=C=S)cc2)cc1

HCID86750868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc175760a1c14fc5a753273233ce71d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][C:9]([C:10](=[O:11])[NH:12][CH2:13][CH2:14][N:15]([CH2:16][CH2:17][NH:18][C:19]([C:20]([CH3:21])([S:22][CH2:23][c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[CH3:32])=[O:33])[CH2:34][c:35]2[cH:36][cH:37][c:38]([NH2:41])[cH:39][cH:40]2)([CH3:42])[CH3:43])[cH:44][cH:45]1.[Cl:46][C:47]([Cl:48])=[S:49].[Cl:50][CH2:51][Cl:52]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][C:9]([C:10](=[O:11])[NH:12][CH2:13][CH2:14][N:15]([CH2:16][CH2:17][NH:18][C:19]([C:20]([CH3:21])([S:22][CH2:23][c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[CH3:32])=[O:33])[CH2:34][c:35]2[cH:36][cH:37][c:38]([N:41]=[C:47]=[S:49])[cH:39][cH:40]2)([CH3:42])[CH3:43])[cH:44][cH:45]1