1,2-Dichloroethane → 7-chloro-4-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine

HRID 1563634Notes

Reaction equation

HRID 1563634 reaction equation
[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[C:43](=[O:44])([OH:45])[O-:46].[CH2:27]=[O:28].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:25][cH:26]1)[NH:6][c:7]1[s:8][c:9]([CH3:24])[cH:10][c:11]1[C:12]([N:14]1[CH2:15][CH:16]([CH2:20][CH2:21][O:22][CH3:23])[NH:17][CH2:18][CH2:19]1)=[N:13]2.[Cl:48][CH2:49][CH2:50][Cl:51].[Na+:42].[Na+:47]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:25][cH:26]1)[NH:6][c:7]1[s:8][c:9]([CH3:24])[cH:10][c:11]1[C:12]([N:14]1[CH2:15][CH:16]([CH2:20][CH2:21][O:22][CH3:23])[N:17]([CH3:29])[CH2:18][CH2:19]1)=[N:13]2

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 2724942TriacetoxyborohydrideHCID 136384212HCID 136384212, compound

Product 1

HCID 1363843427-chloro-4-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine

Sources & evidence

ORD record
ord-c6bdc87862204bf58eeb5b2ea6662609
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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