Ammonia → HCID 10279755, compound

HRID 2127911Notes

Reaction equation

HRID 2127911 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:2][CH:3]([OH:4])[CH3:5].[Cl:6][C:7]([c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:27]1)[CH:13]([c:20]1[cH:21][c:22]([Cl:26])[cH:23][cH:24][cH:25]1)[S:14][CH2:15][C:16](=[O:19])[N:17]2[CH3:18])([c:28]1[cH:29][n:30][cH:31][n:32]1[CH3:33])[c:34]1[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]1.[NH3:1].[OH2:41]>>[NH2:1][C:7]([c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:27]1)[CH:13]([c:20]1[cH:21][c:22]([Cl:26])[cH:23][cH:24][cH:25]1)[S:14][CH2:15][C:16](=[O:19])[N:17]2[CH3:18])([c:28]1[cH:29][n:30][cH:31][n:32]1[CH3:33])[c:34]1[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]1

Participants

6

Reactant 5

HCID 222AmmoniaHCID 962WaterHCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 690229887-[chloro(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-5-(3-chlorophenyl)-1,5-dihydro-1-methyl-4,1-benzothiazepin-2(3H)-one

Product 1

HCID 10279755HCID 10279755, compound

Sources & evidence

ORD record
ord-d559f0430c1f4830af9ee67ec39a3bd3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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