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Hydrochloric Acid → 3-{1-[4-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-3-hydroxymethyl-butyryl]-piperidin-4-yl}1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one

HRID 283833
Notes
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Reaction equation

HRID 283833 reaction equation
[BH4-:39].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[ClH:41].[NH2:1][c:2]1[c:3]([Cl:38])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:30])[NH:21][c:22]4[c:23]([cH:26][cH:27][cH:28][cH:29]4)[CH2:24][CH2:25]3)[CH2:17][CH2:18]2)=[O:31])[cH:32][c:33]1[C:34]([F:35])([F:36])[F:37].[Na+:40].[OH2:47]>>[NH2:1][c:2]1[c:3]([Cl:38])[cH:4][c:5]([CH2:6][CH:7]([CH2:8][OH:9])[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:30])[NH:21][c:22]4[c:23]([cH:26][cH:27][cH:28][cH:29]4)[CH2:24][CH2:25]3)[CH2:17][CH2:18]2)=[O:31])[cH:32][c:33]1[C:34]([F:35])([F:36])[F:37]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 221846012-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-4-oxo-4-[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-yl]-butyric Acid

Product 1

HCID 22184595
3-{1-[4-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-3-hydroxymethyl-butyryl]-piperidin-4-yl}1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one

Sources & evidence

ORD record
ord-d9961c82461e45d8b2f7f98f264727e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes