HRID675472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID10014318

2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

C7H3Cl2NO2S

HCID21920444

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1c2ccccc2CC1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1

HCID21920423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f0fa734fd194678b7aef9e3f49b4fe9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]2[c:7]([nH:8]1)[c:9]([Cl:13])[c:10]([Cl:12])[s:11]2.[CH3:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH2:57][CH2:58][N:59]([CH3:60])[CH3:61].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:62][CH2:63][Cl:64].[NH2:14][CH:15]1[CH:16]([NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[CH2:23]1.[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[C:1](=[O:3])([c:4]1[cH:5][c:6]2[c:7]([nH:8]1)[c:9]([Cl:13])[c:10]([Cl:12])[s:11]2)[NH:14][CH:15]1[CH:16]([NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[CH2:23]1