HRID1121309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID81531

Diisopropylethylamine

C8H19N

HCID2794173

N-benzylhydroxylamine

C7H9NO

HCID58996965

未命名化合物

PRODUCTS

生成物

结构：Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)N(O)Cc2ccccc2)CC1

HCID58997241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47fb4e6041cb4342a863f15f3a6b8ba3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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