HRID160136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID66949

1,3,4-Thiadiazole, 2-amino-5-methyl-

C3H5N3S

HCID81531

Diisopropylethylamine

C8H19N

HCID94429

Triphosgene

C3Cl6O3

HCID21891162

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)Nc4nnc(C)s4)cc3C)c2cc1OC

HCID23118613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee689bca6664412a9829c93007451fb3
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][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[c:17]([CH3:23])[cH:18][c:19]([NH2:20])[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[CH:52]([Cl:53])([Cl:54])[Cl:55].[Cl:33][C:34]([Cl:35])([O:36][C:37]([O:38][C:39]([Cl:40])([Cl:41])[Cl:42])=[O:43])[Cl:44].[NH2:45][c:46]1[s:47][c:48]([CH3:51])[n:49][n:50]1.[OH2:56]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[c:17]([CH3:23])[cH:18][c:19]([NH:20][C:37](=[O:43])[NH:45][c:46]4[s:47][c:48]([CH3:51])[n:49][n:50]4)[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]