HRID115604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID95048

2-Thiophenecarboxylic acid, 5-chloro-

C5H3ClO2S

HCID22714579

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1

HCID21070745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f50f51de2b247d2a93a84beaeaf486c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:22][c:23]1[cH:24][cH:25][c:26]([C:28](=[O:29])[OH:30])[s:27]1.[NH2:1][CH2:2][CH:3]1[CH2:4][N:5]([c:9]2[cH:10][c:11]([F:21])[c:12]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[cH:13][cH:14]2)[C:6](=[O:8])[O:7]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:31].[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[NH:1]([CH2:2][CH:3]1[CH2:4][N:5]([c:9]2[cH:10][c:11]([F:21])[c:12]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[cH:13][cH:14]2)[C:6](=[O:8])[O:7]1)[C:28]([c:26]1[cH:25][cH:24][c:23]([Cl:22])[s:27]1)=[O:29]