HRID213325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID736817

1-Boc-4-(aminomethyl)piperidine

C11H22N2O2

结构：COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(=O)O

HCID22936749

4-[3-Chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxylic acid

C21H18ClN3O5

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1

HCID22936930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0c62a473d5b435f8f14e0dc5a24da27
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

[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][n:9][c:10]3[cH:11][c:12]([O:19][CH3:20])[c:13]([C:16](=[O:17])[OH:18])[cH:14][c:15]23)[cH:21][cH:22][c:23]1[NH:24][C:25](=[O:26])[NH:27][CH:28]1[CH2:29][CH2:30]1.[NH2:31][CH2:32][CH:33]1[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]1.[OH2:64]>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][n:9][c:10]3[cH:11][c:12]([O:19][CH3:20])[c:13]([C:16](=[O:18])[NH:31][CH2:32][CH:33]4[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]4)[cH:14][c:15]23)[cH:21][cH:22][c:23]1[NH:24][C:25](=[O:26])[NH:27][CH:28]1[CH2:29][CH2:30]1