Hydrochloric Acid → Hydrochloric Acid

HRID 697912Notes

Reaction equation

HRID 697912 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][c:10]2[c:11]([C:18]([NH:19][C:20]3([C:29](=[O:30])[OH:31])[CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[CH2:28]3)=[O:32])[cH:12][cH:13][cH:14][c:15]2[CH2:16][CH2:17]1)([CH3:5])([CH3:6])[CH3:7].[ClH:33].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:40]>>[ClH:33].[NH:8]1[CH2:9][c:10]2[c:11]([C:18]([NH:19][C:20]3([C:29](=[O:30])[OH:31])[CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[CH2:28]3)=[O:32])[cH:12][cH:13][cH:14][c:15]2[CH2:16][CH2:17]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 962WaterHCID 312751,4-Dioxane2×HCID 593141048-(2-Carboxy-indan-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 593141302-[(1,2,3,4-Tetrahydro-isoquinoline-8-carbonyl)-amino]-indan-2-carboxylic acid

Sources & evidence

ORD record
ord-1fbbf86c962f4465a247226ce31ab8f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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