HRID1216165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6331

Borane

H3B

HCID8028

Tetrahydrofuran

C4H8O

2 次

结构：CC1CN(c2ncc(CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(NC(=O)c3cc(F)c(F)c(F)c3)c2[nH]1

HCID178430137

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ncc(CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(NCc3cc(F)c(F)c(F)c3)c2[nH]1

HCID178430133

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e6095a7c64c4425a9ec482476c82575
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BH3:42].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:53][OH:54].[Cl:1][c:2]1[c:3]([N:10]2[CH2:11][CH:12]([CH3:41])[N:13]([c:16]3[nH:17][c:18]4[c:19]([n:20]3)[cH:21][c:22]([C:37]([F:38])([F:39])[F:40])[cH:23][c:24]4[NH:25][C:26]([c:27]3[cH:28][c:29]([F:35])[c:30]([F:34])[c:31]([F:33])[cH:32]3)=[O:36])[CH2:14][CH2:15]2)[n:4][cH:5][c:6]([CH2:8][OH:9])[cH:7]1.[Na+:56].[OH-:55]>>[Cl:1][c:2]1[c:3]([N:10]2[CH2:11][CH:12]([CH3:41])[N:13]([c:16]3[nH:17][c:18]4[c:19]([n:20]3)[cH:21][c:22]([C:37]([F:38])([F:39])[F:40])[cH:23][c:24]4[NH:25][CH2:26][c:27]3[cH:28][c:29]([F:35])[c:30]([F:34])[c:31]([F:33])[cH:32]3)[CH2:14][CH2:15]2)[n:4][cH:5][c:6]([CH2:8][OH:9])[cH:7]1