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Toluene → Hydrochloric Acid

HRID 2337827
Notes
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Reaction equation

HRID 2337827 reaction equation
[CH3:13][S:14](=[O:15])(=[O:16])[OH:17].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl:28][C:29]([Cl:30])=[O:31].[Cl:32][c:33]1[cH:34][cH:35][c:36]([NH:39][C:40]([c:41]2[c:42]([NH2:47])[cH:43][cH:44][cH:45][cH:46]2)=[O:48])[n:37][cH:38]1.[Cl:49][CH2:50][Cl:51].[cH:18]1[cH:19][c:20]2[c:21]([n:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27]1.[n:1]1[cH:2][cH:3][c:4]([N:7]2[CH2:8][CH:9]([OH:12])[CH2:10][CH2:11]2)[cH:5][cH:6]1>>[ClH:28].[n:1]1[cH:2][cH:3][c:4]([N:7]2[CH2:8][CH:9]([O:12][C:29](=[O:31])[NH:47][c:42]3[c:41]([C:40]([NH:39][c:36]4[cH:35][cH:34][c:33]([Cl:32])[cH:38][n:37]4)=[O:48])[cH:46][cH:45][cH:44][cH:43]3)[CH2:10][CH2:11]2)[cH:5][cH:6]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 7

HCID 1140TolueneHCID 6344DichloromethaneHCID 6371PhosgeneHCID 6395Methanesulfonic AcidHCID 7047QuinolineHCID 219061981-(Pyridin-4-yl)pyrrolidin-3-olHCID 219063812-amino-N-(5-chloropyridin-2-yl)benzamide

Product 2

HCID 313Hydrochloric AcidHCID 21906357N-(5-Chloropyridin-2-yl)-2-[[1-(4-pyridinyl)pyrrolidin-3-yloxycarbonyl]amino]benzamide

Sources & evidence

ORD record
ord-8307a99779894b759b463c525a7553a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes