HRID298576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID7237

o-Xylene

C8H10

HCID8471

Triethylamine

C6H15N

HCID21109

Trimetazidine

C14H22N2O3

HCID2723773

1,1'-(Chloromethylene)bis(4-fluorobenzene)

C13H9ClF2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC

HCID3949

Lomerizine

C27H30F2N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ed7554302b048e7a22685e2f18b244e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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