HRID686616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID1086563

(5-Phenyl-2H-tetrazol-2-yl)acetic acid

C9H8N4O2

HCID10308229

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1nnc(-c2ccccc2)n1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

HCID21962810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-253f4a91c04c49c085aed7141e6de0c0
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

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