HRID2322091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID119947

2-Chloro-4-isocyanatoanisole

C8H6ClNO2

结构：COn1c(=O)c(-c2cc(N)ccc2Cl)cc2cnc(NCCN(C)C)nc21

HCID58478358

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)Nc2ccc(Cl)c(-c3cc4cnc(NCCN(C)C)nc4n(OC)c3=O)c2)cc1Cl

HCID44463312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69064f1d9f774bd49107d21f49d1c149
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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