HRID96186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6422

未命名化合物

HCID6809

Phthalimide

C8H5NO2

HCID9321

Hydrazine

H4N2

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3OCCN3C(=O)c4ccccc4C3=O)cc12

HCID67211113

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3OCCN)cc12

HCID59275225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1420613208dc4755b9b14c40f6ec340b
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

[CH3:73][OH:74].[F:66][C:67]([F:68])([F:69])[C:70]([OH:71])=[O:72].[NH2:64][NH2:65].[O:12]=[C:13]1[N:14]([CH2:23][CH2:24][O:25][c:26]2[c:27](-[c:44]3[cH:45][cH:46][c:47]4[c:48]([c:49]([C:59](=[O:60])[NH:61][CH3:62])[c:50](-[c:52]5[cH:53][cH:54][c:55]([F:58])[cH:56][cH:57]5)[o:51]4)[cH:63]3)[cH:28][c:29]([C:32]([NH:33][C:34]3([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[CH2:35][CH2:36]3)=[O:43])[cH:30][cH:31]2)[C:21](=[O:22])[c:16]2[c:15]1[cH:20][cH:19][cH:18][cH:17]2.[O:1]=[C:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[C:9](=[O:10])[NH:11]1.[OH2:75]>>[NH2:14][CH2:23][CH2:24][O:25][c:26]1[c:27](-[c:44]2[cH:45][cH:46][c:47]3[c:48]([c:49]([C:59](=[O:60])[NH:61][CH3:62])[c:50](-[c:52]4[cH:53][cH:54][c:55]([F:58])[cH:56][cH:57]4)[o:51]3)[cH:63]2)[cH:28][c:29]([C:32]([NH:33][C:34]2([c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[CH2:35][CH2:36]2)=[O:43])[cH:30][cH:31]1