HRID1120004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID28123

Tetrahydroborate

H4B-

结构：[N-]=[N+]=Nc1nc(F)nc2c1ncn2C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID178514531

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(F)nc2c1ncn2C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID178508564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4703baf4ad26450d8b028668d1ef0ac4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BH4-:44].[CH3:46][CH:47]([OH:48])[CH3:49].[N:1](=[N+:2]=[N-:3])[c:4]1[c:5]2[n:6][cH:7][n:8]([CH:14]3[CH:15]([O:16][CH2:17][c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)[CH:24]([O:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH:33]([CH2:35][O:36][CH2:37][c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[O:34]3)[c:9]2[n:10][c:11]([F:13])[n:12]1.[Na+:45].[OH2:50]>>[NH2:1][c:4]1[c:5]2[n:6][cH:7][n:8]([CH:14]3[CH:15]([O:16][CH2:17][c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)[CH:24]([O:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH:33]([CH2:35][O:36][CH2:37][c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[O:34]3)[c:9]2[n:10][c:11]([F:13])[n:12]1