HRID99187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID23925

Iron

结构：Cc1ccc2c(Nc3cc([N+](=O)[O-])ccc3Sc3ccc(OCc4ccccc4)cc3)ncnc2n1

HCID66808382

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(Nc3cc(N)ccc3Sc3ccc(OCc4ccccc4)cc3)ncnc2n1

HCID66808642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cb07ce9c4dd49c39ca7ba4562b33d3b
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH3:36])[cH:34][cH:35]4)[cH:18][c:19]([N+:22]([O-:23])=[O:24])[cH:20][cH:21]2)[cH:13][cH:14]1.[CH3:45][OH:46].[Cl-:37].[Fe:47].[NH4+:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH3:36])[cH:34][cH:35]4)[cH:18][c:19]([NH2:22])[cH:20][cH:21]2)[cH:13][cH:14]1