HRID192273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6371

Phosgene

CCl2O

HCID7670

N-Ethylaniline

C8H11N

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cnc(CN(Cc2ccc(CN)cc2CO)C2CCCc3cccnc32)c(C)c1

HCID67271935

未命名化合物

PRODUCTS

生成物

结构：CCN(C(=O)NCc1ccc(CN(Cc2ncc(C)cc2C)C2CCCc3cccnc32)c(CO)c1)c1ccccc1

HCID67272182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db51f1f5877648b1b95ed25ec99cc808
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([CH3:2])[NH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH:10]([N:11]([CH2:12][CH3:13])[CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[Cl:19][C:20]([Cl:21])=[O:22].[NH2:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([CH2:33][N:34]([CH:35]2[CH2:36][CH2:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][n:43][c:44]32)[CH2:45][c:46]2[n:47][cH:48][c:49]([CH3:53])[cH:50][c:51]2[CH3:52])[c:29]([CH2:31][OH:32])[cH:30]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[CH2:1]([CH3:2])[N:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:20](=[O:22])[NH:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([CH2:33][N:34]([CH:35]2[CH2:36][CH2:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][n:43][c:44]32)[CH2:45][c:46]2[n:47][cH:48][c:49]([CH3:53])[cH:50][c:51]2[CH3:52])[c:29]([CH2:31][OH:32])[cH:30]1