HRID663376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

反应SMILES：CCOC(=O)c1cccc2nc(N3CCC(NC(=O)c4nc(Cl)c(CC)[nH]4)C(OC(C)C)C3)sc12

HCID68416941

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1[nH]c(C(=O)NC2CCN(c3nc4cccc(C(=O)O)c4s3)CC2OC(C)C)nc1Cl

HCID68415261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a0912234b1df469eaf93dd8fe9af98d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[Cl:1][c:2]1[n:3][c:4]([C:9](=[O:10])[NH:11][CH:12]2[CH:13]([O:32][CH:33]([CH3:34])[CH3:35])[CH2:14][N:15]([c:18]3[s:19][c:20]4[c:21]([n:22]3)[cH:23][cH:24][cH:25][c:26]4[C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:16][CH2:17]2)[nH:5][c:6]1[CH2:7][CH3:8].[Li+:38].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:37].[OH2:36].[OH2:39]>>[Cl:1][c:2]1[n:3][c:4]([C:9](=[O:10])[NH:11][CH:12]2[CH:13]([O:32][CH:33]([CH3:34])[CH3:35])[CH2:14][N:15]([c:18]3[s:19][c:20]4[c:21]([n:22]3)[cH:23][cH:24][cH:25][c:26]4[C:27](=[O:28])[OH:29])[CH2:16][CH2:17]2)[nH:5][c:6]1[CH2:7][CH3:8]