HRID941944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：Cn1cc(C(=O)O)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1n[nH]c2ccc(Cl)cc12

HCID178480542

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC4CC4)c3nn2Cc2n[nH]c3ccc(Cl)cc23)n(C)c1

HCID178485258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a8a763ece95495fa0a6bff17c7a726b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:38](#[N:39])[P:40](=[O:41])([O:42][CH2:43][CH3:44])[O:45][CH2:46][CH3:47].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:11][n:12]3[n:13][c:14]4[n:15]([CH2:33][CH:34]5[CH2:35][CH2:36]5)[c:16](=[O:32])[n:17]([CH3:31])[c:18](=[O:30])[c:19]4[c:20]3-[c:21]3[cH:22][c:23]([C:27](=[O:28])[OH:29])[cH:24][n:25]3[CH3:26])[n:6][nH:7][c:8]2[cH:9][cH:10]1.[NH3:37]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:11][n:12]3[n:13][c:14]4[n:15]([CH2:33][CH:34]5[CH2:35][CH2:36]5)[c:16](=[O:32])[n:17]([CH3:31])[c:18](=[O:30])[c:19]4[c:20]3-[c:21]3[cH:22][c:23]([C:27](=[O:28])[NH:39][CH3:38])[cH:24][n:25]3[CH3:26])[n:6][nH:7][c:8]2[cH:9][cH:10]1