HRID122890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID76639

Benzyl isocyanate

C8H7NO

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：Cc1n[nH]c(C)c1Cc1cn(C(=O)OC(C)(C)C)c2ncccc12

HCID59593344

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C(=O)NCc2ccccc2)c(C)c1Cc1cn(C(=O)OC(C)(C)C)c2ncccc12

HCID59593363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd7c8aba8f7a40a89c8a89253dd3a285
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[cH:9][c:10]([CH2:17][c:18]2[c:19]([CH3:24])[n:20][nH:21][c:22]2[CH3:23])[c:11]2[c:12]1[n:13][cH:14][cH:15][cH:16]2.[CH2:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[N:43]=[C:44]=[O:45].[Cl:46][CH2:47][Cl:48].[N:25]12[CH2:26][CH2:27][CH2:28][N:29]=[C:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[cH:9][c:10]([CH2:17][c:18]2[c:19]([CH3:24])[n:20][n:21]([C:44]([NH:43][CH2:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)=[O:45])[c:22]2[CH3:23])[c:11]2[c:12]1[n:13][cH:14][cH:15][cH:16]2