Hydrochloric Acid → HCID 59617720, compound

HRID 686261Notes

Reaction equation

HRID 686261 reaction equation
[C:55](=[O:56])([OH:57])[O-:58].[CH2:25]([CH3:26])[NH:27][C:28](=[O:29])[NH:30][c:31]1[n:32][cH:33][c:34]([B:46]2[O:47][C:48]([CH3:49])([CH3:50])[C:51]([CH3:52])([CH3:53])[O:54]2)[c:35](-[c:37]2[s:38][cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[n:41]2)[cH:36]1.[CH2:60]([CH2:61][O:62][CH3:63])[O:64][CH3:65].[ClH:1].[I:2][c:3]1[cH:4][c:5]2[c:6](=[O:24])[c:7]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:8][n:9]([CH2:13][CH:14]3[CH2:15][NH:16][CH2:17][CH2:18]3)[c:10]2[cH:11][cH:12]1.[Na+:59].[OH2:66]>>[c:3]1(-[c:34]2[cH:33][n:32][c:31]([NH:30][C:28]([NH:27][CH2:25][CH3:26])=[O:29])[cH:36][c:35]2-[c:37]2[s:38][cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[n:41]2)[cH:4][c:5]2[c:6](=[O:24])[c:7]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:8][n:9]([CH2:13][CH:14]3[CH2:15][NH:16][CH2:17][CH2:18]3)[c:10]2[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 592084681-Ethyl-3-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-2-yl)ureaHCID 59415876Ethyl 6-iodo-4-oxo-1-(pyrrolidin-3-ylmethyl)quinoline-3-carboxylate

Product 1

HCID 59617720HCID 59617720, compound

Sources & evidence

ORD record
ord-c4763732b2bb44c98413dbbd9656b074
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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