HRID148462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12007

2-Chloro-4-methylaniline

C7H8ClN

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)CC1CC(c2onc(C(CC(=O)[O-])CC(=O)OC(C)(C)C)c2C2CC2)C1

HCID86675036

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)CC(CC(=O)OC(C)(C)C)c2noc(C3CC(CC(C)C)C3)c2C2CC2)c(Cl)c1

HCID71134796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bcfd09c729f4fe1a2e2bc6617a5e0d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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