HRID665587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3301

Ethylenediamine

C2H8N2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)O)cn3C)n(Cc3c[nH]c4ccc(Cl)cc34)nc21

HCID58981063

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)NCCN)cn3C)n(Cc3c[nH]c4ccc(Cl)cc34)nc21

HCID58981022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c49217ab4ba04035882e8b12115e0c9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:41]([P:42](=[O:43])([O:44][CH2:45][CH3:46])[O:47][CH2:48][CH3:49])#[N:50].[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]([CH3:35])[CH3:36])[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])[cH:6][nH:7][c:8]2[cH:9][cH:10]1.[NH2:37][CH2:38][CH2:39][NH2:40]>>[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]([CH3:35])[CH3:36])[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:29])[NH:40][CH2:39][CH2:38][NH2:37])[cH:24][n:25]3[CH3:26])[cH:6][nH:7][c:8]2[cH:9][cH:10]1