HRID212132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID68294

1,3-Propanediol, 2-amino-

C3H9NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID75096359

未命名化合物

PRODUCTS

产物

HCID72243902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-131c4d209c64403c8261d2d5553016ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:1][C:2]([CH2:3][n:4]1[n:5][c:6]([NH:9][C:10](=[O:11])[CH:12]2[NH:13][CH:14]([CH2:35][C:36]([CH3:37])([CH3:38])[CH3:39])[C:15]([C:25]#[N:26])([c:27]3[c:28]([F:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[CH:16]2[c:17]2[c:18]([F:24])[c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[cH:7][cH:8]1)([CH3:40])[O:41][CH2:42][CH:43]1[O:44][CH2:45]1.[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[CH:61]([OH:62])([CH3:63])[CH3:64].[NH2:55][CH:56]([CH2:57][OH:58])[CH2:59][OH:60]>>[CH3:1][C:2]([CH2:3][n:4]1[n:5][c:6]([NH:9][C:10](=[O:11])[CH:12]2[NH:13][CH:14]([CH2:35][C:36]([CH3:37])([CH3:38])[CH3:39])[C:15]([C:25]#[N:26])([c:27]3[c:28]([F:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[CH:16]2[c:17]2[c:18]([F:24])[c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[cH:7][cH:8]1)([CH3:40])[O:41][CH2:42][CH:43]([OH:44])[CH2:45][NH:55][CH:56]([CH2:57][OH:58])[CH2:59][OH:60]