Acetate → N2-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-4-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine

HRID 1542287Notes

Reaction equation

HRID 1542287 reaction equation
[BH4-:41].[BH4-:6].[CH3:2][C:3](=[O:4])[O-:5].[CH3:42][OH:43].[Cl:8][c:9]1[n:10][cH:11][n:12](-[c:14]2[c:15]([O:38][CH3:39])[cH:16][c:17]([NH:20][c:21]3[s:22][c:23]4[c:24]([n:25]3)[CH:26]([c:31]3[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]3)[CH2:27][C:28](=[O:30])[CH2:29]4)[cH:18][cH:19]2)[cH:13]1.[ClH:40].[NH4+:1].[Na+:7]>>[NH2:1][CH:28]1[CH2:27][CH:26]([c:31]2[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]2)[c:24]2[c:23]([s:22][c:21]([NH:20][c:17]3[cH:16][c:15]([O:38][CH3:39])[c:14](-[n:12]4[cH:11][n:10][c:9]([Cl:8])[cH:13]4)[cH:19][cH:18]3)[n:25]2)[CH2:29]1

Participants

8

Reactant 7

HCID 175AcetateHCID 223AmmoniumHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 28123Borohydride2×HCID 581100012-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenylamino)-4-(4-fluorophenyl)-4,5-dihydrobenzo[d]thiazol-6(7H)-one

Product 1

HCID 58110003N2-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-4-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine

Sources & evidence

ORD record
ord-40cb9ddbb53d406196c5cbb60668ca44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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