Hydrochloric Acid → [2-(3-Cyclopropyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-ylmethyl)-1-(4-hydroxy-butyl)-1H-benzoimidazol-5-ylmethyl]-carbamic acid tert-butyl ester

HRID 685575Notes

Reaction equation

HRID 685575 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]2[c:13]([n:14]([CH2:33][CH2:34][CH2:35][CH2:36][O:37][C:38](=[O:39])[C:40]([CH3:41])([CH3:42])[CH3:43])[c:15]([CH2:17][n:18]3[c:19](=[O:32])[n:20]([CH:29]4[CH2:30][CH2:31]4)[c:21](=[O:28])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]34)[n:16]2)[cH:44][cH:45]1.[CH3:49][OH:50].[ClH:48].[Na+:47].[OH-:46].[OH2:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]2[c:13]([n:14]([CH2:33][CH2:34][CH2:35][CH2:36][OH:37])[c:15]([CH2:17][n:18]3[c:19](=[O:32])[n:20]([CH:29]4[CH2:30][CH2:31]4)[c:21](=[O:28])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]34)[n:16]2)[cH:44][cH:45]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 69709395HCID 69709395, compound

Product 1

HCID 69718999[2-(3-Cyclopropyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-ylmethyl)-1-(4-hydroxy-butyl)-1H-benzoimidazol-5-ylmethyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-133a688a84a2421a84f20ae7cf46f8bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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