HRID674159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID3751601

2-Amino-1-(3-chlorophenyl)-1-ethanol

C8H10ClNO

结构：Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc2[nH]c(-c3c(Cl)cc[nH]c3=O)nc12

HCID178433095

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12

HCID178433097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f844ec7ef6f44e0094bbb2f75b74fe2f
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([CH3:31])[c:17]3[n:18][c:19](-[c:23]4[c:24](=[O:30])[nH:25][cH:26][cH:27][c:28]4[Cl:29])[nH:20][c:21]3[n:22]2)[CH2:12][CH2:13]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:51][C:52]#[N:53].[ClH:39].[NH2:40][CH2:41][CH:42]([OH:43])[c:44]1[cH:45][c:46]([Cl:50])[cH:47][cH:48][cH:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([CH3:31])[c:17]3[n:18][c:19](-[c:23]4[c:24](=[O:30])[nH:25][cH:26][cH:27][c:28]4[NH:40][CH2:41][CH:42]([OH:43])[c:44]4[cH:45][c:46]([Cl:50])[cH:47][cH:48][cH:49]4)[nH:20][c:21]3[n:22]2)[CH2:12][CH2:13]1