HRID835198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8373

2-Methylbenzoic acid

C8H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(NCC(=O)N1CCNCC1)c1ccc(Oc2ccccc2)cc1

HCID59559582

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1C(=O)N1CCN(C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)CC1

HCID59559624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8015c3c94e043b6bae195811d02b581
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:10][c:11]1[c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][cH:18][cH:19]1.[CH3:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[O:41]=[C:42]([CH2:43][NH:44][C:45]([c:46]1[cH:47][cH:48][c:49]([O:52][c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:50][cH:51]1)=[O:59])[N:60]1[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[CH3:10][c:11]1[c:12]([C:13](=[O:15])[N:63]2[CH2:62][CH2:61][N:60]([C:42](=[O:41])[CH2:43][NH:44][C:45]([c:46]3[cH:47][cH:48][c:49]([O:52][c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[cH:50][cH:51]3)=[O:59])[CH2:65][CH2:64]2)[cH:16][cH:17][cH:18][cH:19]1