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Methanol → HCID 178492667, compound

HRID 1122085
Notes
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Reaction equation

HRID 1122085 reaction equation
[CH3:50][OH:51].[CH3:52][CH:53]([CH3:54])[CH2:55][CH:56]([OH:57])[CH3:58].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]([CH3:14])[CH3:15])[CH2:9][C:8]([CH3:16])([CH3:17])[C:7](=[O:18])[N:6]2[CH3:19].[NH2:20][c:21]1[c:22]([O:36][CH3:37])[cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]2[CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]2)[cH:34][cH:35]1.[OH2:38].[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([OH:45])(=[O:46])=[O:47])[cH:48][cH:49]1>>[c:2]1([NH:20][c:21]2[c:22]([O:36][CH3:37])[cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]3[CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]3)[cH:34][cH:35]2)[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]([CH3:14])[CH3:15])[CH2:9][C:8]([CH3:16])([CH3:17])[C:7](=[O:18])[N:6]2[CH3:19]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 79104-Methyl-2-PentanolHCID 686841234-amino-3-methoxy-N-(1-methylpyrrolidin-3-yl)benzamideHCID 8661755710-Chloro-4,4,6-trimethyl-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

Product 1

HCID 178492667HCID 178492667, compound

Sources & evidence

ORD record
ord-ade1e28409cb435cb42188458e3d37c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes