Hydrochloric Acid → Hydrochloric Acid

HRID 1550826Notes

Reaction equation

HRID 1550826 reaction equation
[C:2](#[N:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][cH:13][c:14]3[n:15](-[c:23]4[cH:24][c:25]([NH:36][CH:37]5[CH2:38][CH:39]6[CH2:40][CH2:41][CH:42]([CH2:43]5)[N:44]6[CH3:45])[c:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:34][cH:35]4)[c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[c:22]23)[cH:8][n:9]1.[ClH:1].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[C:2](#[N:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][cH:13][c:14]3[n:15](-[c:23]4[cH:24][c:25]([NH:36][CH:37]5[CH2:38][CH:39]6[CH2:40][CH2:41][CH:42]([CH2:43]5)[N:44]6[CH3:45])[c:26]([C:27](=[O:28])[OH:29])[cH:34][cH:35]4)[c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[c:22]23)[cH:8][n:9]1.[ClH:1]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 673091362-methylpropan-2-yl 4-[4-(6-cyanopyridin-3-yl)-9H-carbazol-9-yl]-2-[(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)amino]benzoate

Product 2

HCID 313Hydrochloric AcidHCID 673082824-[4-(6-Cyano-3-pyridinyl)carbazol-9-yl]-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzoic acid

Sources & evidence

ORD record
ord-33bbe6f72233476b9a48b1b6d99f1b05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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