Hydrochloric Acid → HCID 178486445, compound

HRID 297294Notes

Reaction equation

HRID 297294 reaction equation
[C:55](=[O:56])([OH:57])[O-:58].[CH3:32][O:33][c:34]1[cH:35][c:36]2[c:40]([cH:41][c:42]1[NH2:43])[N:39]([C:44]([CH:45]1[N:46]([CH3:50])[CH2:47][CH2:48][CH2:49]1)=[O:51])[CH2:38][CH2:37]2.[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[Cl:2][c:3]1[n:4][c:5]2[c:6]([c:7]3[n:8][c:9]4[cH:10][cH:11][cH:12][c:13]([F:18])[c:14]4[c:15](=[O:17])[n:16]13)[cH:19][cH:20][n:21]2[S:22](=[O:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]1.[Cl:52][CH2:53][Cl:54].[ClH:1].[Na+:59].[OH:65][CH2:66][C:67]([F:68])([F:69])[F:70]>>[c:3]1([NH:43][c:42]2[c:34]([O:33][CH3:32])[cH:35][c:36]3[c:40]([cH:41]2)[N:39]([C:44]([CH:45]2[N:46]([CH3:50])[CH2:47][CH2:48][CH2:49]2)=[O:51])[CH2:38][CH2:37]3)[n:4][c:5]2[c:6]([c:7]3[n:8][c:9]4[cH:10][cH:11][cH:12][c:13]([F:18])[c:14]4[c:15](=[O:17])[n:16]13)[cH:19][cH:20][n:21]2[S:22](=[O:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 64092,2,2-TrifluoroethanolHCID 594416275-chloro-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-oneHCID 59441782(6-Amino-5-methoxy-2,3-dihydroindol-1-yl)-(1-methylpyrrolidin-2-yl)methanone

Product 1

HCID 178486445HCID 178486445, compound

Sources & evidence

ORD record
ord-0bd925f8fb954450a4098eb1e85ed2e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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