HRID1218207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(CSCC(=O)N2C(=O)OCC2c2ccccc2)cc1

HCID59392548

未命名化合物

结构：CC(C)(C)OC(=O)COc1ccc(C=Nc2ccc(Cl)cc2)cc1

HCID86641030

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CSC(C(=O)N2C(=O)OCC2c2ccccc2)C(Nc2ccc(Cl)cc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1

HCID90797251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a6aa0178b8b4724b4d0869e0fca8afa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH:55]([CH3:56])[CH3:57])[CH3:58].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH2:9][C:10](=[O:11])[N:12]2[C:13](=[O:23])[O:14][CH2:15][CH:16]2[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:24][cH:25]1.[CH:64]([OH:65])([CH3:66])[CH3:67].[Cl-:59].[Cl:26][c:27]1[cH:28][cH:29][c:30]([N:33]=[CH:34][c:35]2[cH:36][cH:37][c:38]([O:39][CH2:40][C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[cH:48][cH:49]2)[cH:31][cH:32]1.[Cl:61][CH2:62][Cl:63].[NH4+:60]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]([C:10](=[O:11])[N:12]2[C:13](=[O:23])[O:14][CH2:15][CH:16]2[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH:34]([NH:33][c:30]2[cH:29][cH:28][c:27]([Cl:26])[cH:32][cH:31]2)[c:35]2[cH:36][cH:37][c:38]([O:39][CH2:40][C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[cH:48][cH:49]2)[cH:24][cH:25]1