HRID169694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID57421264

未命名化合物

结构：ClCCCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID57421339

5-(3-Chloropropyl)-1-(triphenylmethyl)-1H-tetrazole

C23H21ClN4

PRODUCTS

生成物

结构：CC(c1ccc(OCCCc2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID57449970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2f50df424d5482bb9d82bcdce4a7e34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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